9IKH

Bovine Heart Cytochrome c Oxidase in the Nitrous Oxide-bound Fully Oxidized State

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	90
Detector technology	PIXEL
Collection date	2023-10-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	182.100, 204.300, 177.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.750
R-factor	0.13979
Rwork	0.138
R-free	0.17352
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8h8r
RMSD bond length	0.016
RMSD bond angle	1.951
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	200.000	1.800
High resolution limit [Å]	1.750	1.750
Rmeas	0.113	2.910
Number of reflections	1292429	95800
<I/σ(I)>	14.1	1.19
Completeness [%]	100.0	100
Redundancy	14.2	14.5
CC(1/2)	0.999	0.695

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.8	277	40 mM sodium phosphate buffer, pH 6.8 0.2% (w/v) decyl-maltoside 1% (w/v) polyethylene glycol 4000